Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | RARB | P10826 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | LDHB | P07195 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL674691 | 0.76 | GABRA1 (0.64) | GABRA1GABRB2 | |
| SCHEMBL9511673 | 0.75 | RARB (0.61) | TSHRALDH1A1RARBMEN1RARA | |
| SCHEMBL19755948 | 0.74 | TSHR (0.47) | TSHRALDH1A1MAPTKMT2ASRD5A2 | |
| SCHEMBL1005366 | 0.74 | GABRA1 (0.77) | GABRA1GABRB2 | |
| SCHEMBL44017 | 0.74 | RARB (0.69) | TSHRALDH1A1RARBMEN1RARA | |
| SCHEMBL31376379 | 0.74 | GABRA1 (0.61) | GABRA1GABRB2 | |
| SCHEMBL542575 | 0.74 | TSHR (0.51) | TSHRLDHALDHBRXRA | |
| SCHEMBL9859 | 0.74 | HMGB1 (0.69) | ALDH1A1GABRA1GABRB2FOLH1 | |
| SCHEMBL6248551 | 0.74 | TSHR (0.69) | TSHRALDH1A1SRD5A2 | |
| SCHEMBL27986872 | 0.74 | TSHR (0.69) | TSHRALDH1A1MEN1MAPTKMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112759531-B | Novel imine compound and preparation method thereof | 中国石油化工股份有限公司 | 2023-07-21 | — | — | CN | disclosed |